butyl 3-[4-(2-methoxyphenoxy)butanoylamino]benzoate

C22H27NO5 — CID 19180963

IUPACbutyl 3-[4-(2-methoxyphenoxy)butanoylamino]benzoate
SMILESCCCCOC(=O)c1cccc(NC(=O)CCCOc2ccccc2OC)c1
InChIInChI=1S/C22H27NO5/c1-3-4-14-28-22(25)17-9-7-10-18(16-17)23-21(24)13-8-15-27-20-12-6-5-11-19(20)26-2/h5-7,9-12,16H,3-4,8,13-15H2,1-2H3,(H,23,24)
InChIKeyLVIQBRLTHUXLLV-UHFFFAOYSA-N
MW385.46 g/mol
LogP4.45
Rot. Bonds11

About butyl 3-[4-(2-methoxyphenoxy)butanoylamino]benzoate

butyl 3-[4-(2-methoxyphenoxy)butanoylamino]benzoate (PubChem CID 19180963) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is butyl 3-[4-(2-methoxyphenoxy)butanoylamino]benzoate.

Molecular Properties

Compound Namebutyl 3-[4-(2-methoxyphenoxy)butanoylamino]benzoate
PubChem CID19180963
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Namebutyl 3-[4-(2-methoxyphenoxy)butanoylamino]benzoate
SMILESCCCCOC(=O)c1cccc(NC(=O)CCCOc2ccccc2OC)c1
InChIInChI=1S/C22H27NO5/c1-3-4-14-28-22(25)17-9-7-10-18(16-17)23-21(24)13-8-15-27-20-12-6-5-11-19(20)26-2/h5-7,9-12,16H,3-4,8,13-15H2,1-2H3,(H,23,24)
InChIKeyLVIQBRLTHUXLLV-UHFFFAOYSA-N
XLogP4.45
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]benzoate
CID 19165843
N-(3-acetylphenyl)-4-(2-methoxyphenoxy)butanamide
CID 19181020
butyl 3-[4-(2-nitrophenoxy)butanoylamino]benzoate
CID 84549806
butyl 3-[3-(3,4-dimethoxyphenyl)propanoylamino]benzoate
CID 19220656
butyl 3-[4-(4-methylphenoxy)butanoylamino]benzoate
CID 19173477
butyl 3-[4-(2-bromo-4-tert-butylphenoxy)butanoylamino]benzoate
CID 19201838
ethyl 4-[4-(2-methoxyphenoxy)butanoylamino]benzoate
CID 19180961
propyl 3-[[2-(2-formyl-6-methoxyphenoxy)acetyl]amino]benzoate
CID 28913518
butyl 3-[4-(3-methyl-4-propan-2-ylphenoxy)butanoylamino]benzoate
CID 19237131
propyl 3-[3-[cyclopropyl-[2-(2-methoxyphenoxy)acetyl]amino]propanoylamino]benzoate
CID 84566637
methyl 3-(decanoylamino)benzoate
CID 142485980
ethyl 3-[3-(2-methoxyphenyl)propanoylamino]benzoate
CID 9228232

Frequently Asked Questions

What is the IUPAC name of butyl 3-[4-(2-methoxyphenoxy)butanoylamino]benzoate?
The IUPAC name of butyl 3-[4-(2-methoxyphenoxy)butanoylamino]benzoate (CID 19180963) is butyl 3-[4-(2-methoxyphenoxy)butanoylamino]benzoate.
What is the SMILES notation for butyl 3-[4-(2-methoxyphenoxy)butanoylamino]benzoate?
The canonical SMILES for butyl 3-[4-(2-methoxyphenoxy)butanoylamino]benzoate is CCCCOC(=O)c1cccc(NC(=O)CCCOc2ccccc2OC)c1.
What is the InChIKey of butyl 3-[4-(2-methoxyphenoxy)butanoylamino]benzoate?
The InChIKey is LVIQBRLTHUXLLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-3-4-14-28-22(25)17-9-7-10-18(16-17)23-21(24)13-8-15-27-20-12-6-5-11-19(20)26-2/h5-7,9-12,16H,3-4,8,13-15H2,1-2H3,(H,23,24).
What are the key properties of butyl 3-[4-(2-methoxyphenoxy)butanoylamino]benzoate?
butyl 3-[4-(2-methoxyphenoxy)butanoylamino]benzoate has a molecular weight of 385.46 g/mol, XLogP of 4.45, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 3-[4-(2-methoxyphenoxy)butanoylamino]benzoate is sourced from PubChem (CID 19180963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).